methyl 2-chloranyl-5-[[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]carbonylamino]benzoate Openeye Name: methyl 2-chloro-5-[[4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazoline-2-carbonyl]amino]benzoate CAS Name: 2-chloro-5-[[oxo-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazoline-2-carbonyl]amino]benzoate Traditional Name: 2-chloro-5-[(4-p-cumenyl-6-propargyloxy-quinazoline-2-carbonyl)amino]benzoic acid methyl ester Formula: C29H24ClN3O4 MolecularWeight: 513.97156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)OC

InChI

InChI=1S/C29H24ClN3O4/c1-5-14-37-21-11-13-25-23(16-21)26(19-8-6-18(7-9-19)17(2)3)33-27(32-25)28(34)31-20-10-12-24(30)22(15-20)29(35)36-4/h1,6-13,15-17H,14H2,2-4H3,(H,31,34)